Tributylmethylammonium methyl sulfate - ≥95% , CAS No.13106-24-6

CAS: 13106-24-6 Cat. No.: T342740 Molecular Weight: 311.48 EC Number: 803-015-8 PubChem CID: 11045164

GRADE & PURITY ≥95%

Synonyms

MTBS | Tributylmethylammonium methyl sulfate | SCHEMBL306587 | T895DNZ4FX | methyl sulfate;tributyl(methyl)azanium | N,N-Dibutyl-N-methylbutan-1-aminiummethylsulfate | 1-Butanaminium, N,N-dibutyl-N-methyl-, methyl sulfate (1:1) | Tributylmethylammonium me

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MTBS | Tributylmethylammonium methyl sulfate | SCHEMBL306587 | T895DNZ4FX | methyl sulfate;tributyl(methyl)azanium | N, N-Dibutyl-N-methylbutan-1-aminiummethylsulfate | 1-Butanaminium, N, N-dibutyl-N-methyl-, methyl sulfate (1:1) | Tributylmethylammonium me

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504765927
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765927
• Canonical Smiles: CCCC[N+](C)(CCCC)CCCC.COS(=O)(=O)[O-]
• IUPAC Name: methyl sulfate;tributyl(methyl)azanium
• InChIKey: FIMHASWLGDDANN-UHFFFAOYSA-M
• INCHI: 1S/C13H30N.CH4O4S/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5-6(2,3)4/h5-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
• Isomeric SMILES: CCCC[N+](C)(CCCC)CCCC.COS(=O)(=O)[O-]
• WGK Germany: 1
• PubChem CID: 11045164
• Molecular Weight: 311.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid monoesters
• Alternative Parents: Alkyl sulfates Tetraalkylammonium salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Not available
• Substituents: Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Flash Point(°F): 354.2 °F
• Flash Point(°C): 179 °C
• Melt Point(°C): 62° C
• Molecular Weight: 311.480 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 311.213 Da
• Monoisotopic Mass: 311.213 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 189.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Mengjing Feng, Zhigang Lei, Chengmin Gui.  (2026)  Thermodynamics and DFT-guided ionic liquid screening for enhanced drug solubility and mechanistic elucidation.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2026.123488]